lithium potassium disodium 3-[[4-[[4-[(6,8-disulfonatonaphthalen-2-yl)diazenyl]-2-methoxy-5-methyl-phenyl]carbamoylamino]-5-methoxy-2-methyl-phenyl]diazenyl]naphthalene-1,5-disulfonate

Systemtic Name: lithium potassium disodium 3-[[4-[[4-[(6,8-disulfonatonaphthalen-2-yl)diazenyl]-2-methoxy-5-methyl-phenyl]carbamoylamino]-5-methoxy-2-methyl-phenyl]diazenyl]naphthalene-1,5-disulfonate Openeye Name: lithium potassium disodium 3-[4-[[4-[(6,8-disulfonato-2-naphthyl)azo]-2-methoxy-5-methyl-phenyl]carbamoylamino]-5-methoxy-2-methyl-phenyl]azonaphthalene-1,5-disulfonate CAS Name: lithium potassium disodium 3-[4-[[[4-[(6,8-disulfonato-2-naphthalenyl)azo]-2-methoxy-5-methylanilino]-oxomethyl]amino]-5-methoxy-2-methylphenyl]azonaphthalene-1,5-disulfonate IUPAC Name: lithium potassium disodium 3-[[4-[[4-[(6,8-disulfonatonaphthalen-2-yl)diazenyl]-2-methoxy-5-methylphenyl]carbamoylamino]-5-methoxy-2-methylphenyl]diazenyl]naphthalene-1,5-disulfonate Traditional Name: lithium potassium disodium 3-[4-[[4-[(6,8-disulfonato-2-naphthyl)azo]-2-methoxy-5-methyl-phenyl]carbamoylamino]-5-methoxy-2-methyl-phenyl]azonaphthalene-1,5-disulfonate Formula: C37H28KLiN6Na2O15S4 MolecularWeight: 1016.92826

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Descriptors Computed from Structure

Canonical SMILES:

[Li+].CC1=CC(=C(C=C1N=NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])OC)NC(=O)NC4=C(C=C(C(=C4)C)N=NC5=CC(=C6C=CC=C(C6=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])OC.[Na+].[Na+].[K+]

Isomeric SMILES

[Li+].CC1=CC(=C(C=C1N=NC2=CC3=C(C=C(C=C3C=C2)S(=O)(=O)[O-])S(=O)(=O)[O-])OC)NC(=O)NC4=C(C=C(C(=C4)C)N=NC5=CC(=C6C=CC=C(C6=C5)S(=O)(=O)[O-])S(=O)(=O)[O-])OC.[Na+].[Na+].[K+]

InChI

InChI=1S/C37H32N6O15S4.K.Li.2Na/c1-19-10-30(32(57-3)17-28(19)42-40-22-9-8-21-12-24(59(45,46)47)16-36(26(21)13-22)62(54,55)56)38-37(44)39-31-11-20(2)29(18-33(31)58-4)43-41-23-14-27-25(35(15-23)61(51,52)53)6-5-7-34(27)60(48,49)50;;;;/h5-18H,1-4H3,(H2,38,39,44)(H,45,46,47)(H,48,49,50)(H,51,52,53)(H,54,55,56);;;;/q;4*+1/p-4